Geometry & MOs

Info

ID:	61514
PubChem CID:	26710133
Reduced:	ClOF3N3H13C18 (1)
Stoich.:	ABC3D3E13F18 (1)
Weight, g/mol:	476.117271
ΔH_f, kcal/mol:	-117.0
Dipole, Da:	4.72
IP(EA), eV:	-9.52(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-[(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enoyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)CN2C(=CC=N2)NC(=O)C3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations